[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate

C15H26O2 — CID 6436644

IUPAC[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate
SMILESCCCCC/C=C\C=C\COC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3/b9-8-,11-10+
InChIKeyBFONWEJKMSLMCY-QNRZBPGKSA-N
MW238.37 g/mol
LogP4.27
Rot. Bonds9

About [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate

[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate (PubChem CID 6436644) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate.

Molecular Properties

Compound Name[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate
PubChem CID6436644
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate
SMILESCCCCC/C=C\C=C\COC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3/b9-8-,11-10+
InChIKeyBFONWEJKMSLMCY-QNRZBPGKSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
trans-2-HEXENYL BUTYRATE
CID 5352461
Neryl isovalerate
CID 6429039
Geranyl 2-methylbutyrate
CID 6437648
Hex-2-enyl butyrate
CID 104485
Geranyl isovalerate
CID 5362830
2-Octen-1-yl butyrate, (2E)-
CID 5362591
2-Hexenyl 2-methylbutyrate, (2E)-
CID 5352459
2-Hexenyl isovalerate (2E)-
CID 5352460
Geranyl 2-ethylbutyrate
CID 5362579
Hept-2-enyl isovalerate
CID 3023610

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate?
The IUPAC name of [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate (CID 6436644) is [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate.
What is the SMILES notation for [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate?
The canonical SMILES for [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate is CCCCC/C=C\C=C\COC(=O)CC(C)C.
What is the InChIKey of [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate?
The InChIKey is BFONWEJKMSLMCY-QNRZBPGKSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3/b9-8-,11-10+.
What are the key properties of [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate?
[(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-deca-2,4-dienyl] 3-methylbutanoate is sourced from PubChem (CID 6436644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).